SCHEMBL15664017

SCHEMBL15664017

COc1ccc2ccc(OCCCN3CCN(C)CC3)cc2n1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.62
DRD3 P35462 3/20 0.62
SRC P12931 1/20 0.49
KDR P35968 1/20 0.49
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HRH4 Q9H3N8 1/20 0.47
EHMT2 Q96KQ7 1/20 0.46
EHMT1 Q9H9B1 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HRH1 P35367 1/20 0.46
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10807692 0.85 HRH3 (0.70) HRH3DRD3SLC6A2SLC6A4NPC1
SCHEMBL15662915 0.81 LTA4H (0.47) HRH3SLC6A2SLC6A4EHMT2EHMT1
SCHEMBL10810010 0.80 HRH3 (0.74) HRH3DRD3SLC6A2SLC6A4NPC1
SCHEMBL7167907 0.80 HRH3 (0.53) HRH3DRD3SRCSLC6A2SLC6A4
SCHEMBL7163046 0.79 DRD3 (0.52) HRH3DRD3KDRSLC6A2SLC6A4
SCHEMBL11262246 0.79 HRH3 (0.59) HRH3DRD3SLC6A2SLC6A4USP2
SCHEMBL16827594 0.78 HRH3 (0.54) HRH3DRD3SRCSLC6A2SLC6A4
SCHEMBL17471509 0.78 DRD3 (0.75) DRD3
SCHEMBL28032867 0.78 HRH3 (0.62) HRH3DRD3NPC1RAB9AUSP2
SCHEMBL16443221 0.78 HTR1A (0.65) HRH3DRD3SLC6A2SLC6A4SIGMAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140127295-A1 COMPOSITIONS, PROCESS OF PREPARATION OF SAID COMPOSITIONS AND METHOD OF TREATING INFLAMMATORY DISEASES Cellworks Group, Inc (US) 2014-05-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140127295-A1 COMPOSITIONS, PROCESS OF PREPARATION OF SAID COMPOSITIONS AND METHOD OF TREATING INFLAMMATORY DISEASES TNF, C5, C9 HRH3 2199/4885DRD3 4658/4885SRC 866/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.